SCHEMBL21852767

SCHEMBL21852767

NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.54
▸ ERAP1 Q9NZ08 1/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.54
▸ REN P00797 2/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.52
▸ HRH2 P25021 1/20 0.52
▸ HRH4 Q9H3N8 1/20 0.52
▸ SLC6A5 Q9Y345 1/20 0.51
▸ S1PR1 P21453 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20133407 0.94 REN (0.61) ERAP2ERAP1LNPEPREN
SCHEMBL17325320 0.85 SLC6A5 (0.55) RENHRH2HRH4SLC6A5
SCHEMBL18862444 0.82 REN (0.55) ERAP2ERAP1LNPEPRENHRH3
SCHEMBL18857761 0.81 SLC15A2 (0.58) HRH3HRH2HRH4SLC6A5
SCHEMBL3392405 0.80 SLC6A5 (0.48) RENSLC6A5
SCHEMBL14233122 0.80 MMP2 (0.55) ERAP2ERAP1LNPEPRENHRH3
SCHEMBL13007878 0.80 SLC6A5 (0.48) RENSLC6A5
SCHEMBL18862365 0.80 REN (0.67) ERAP2ERAP1LNPEPREN
SCHEMBL18857602 0.79 REN (0.64) ERAP2ERAP1LNPEPREN
SCHEMBL30030926 0.79 MME (0.59) ERAP2ERAP1LNPEPREN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200108159-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R WAKE FOREST UNIVERSITY 2020-04-09 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200108159-A1 RADIOTHERAPEUTIC AND COMPANION IMAGING AGENTS TO TARGET MC1R MC1R, MC3R, MC5R ERAP2 2037/4885ERAP1 2020/4885LNPEP 1010/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback